2-(Ethylsulfonyl)-5-(1-pyrrolidinyl)aniline

C₁₂H₁₈N₂O₂SCAS 1219972-54-9254.35 g/mol

Open in Covalent MOL file

Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₂O₂S
Molar mass: 254.35 g/mol
Exact mass: 254.1089 Da
logP: 1.66Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

1219972-54-9

SMILES

CCS(=O)(=O)C1=C(C=C(C=C1)N2CCCC2)N

InChIKey

MJKZYRQKQXEZCN-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2O2S/c1-2-17(15,16)12-6-5-10(9-11(12)13)14-7-3-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-(Ethylsulfonyl)-5-(1-pyrrolidinyl)aniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Ethylsulfonyl)-5-(1-piperidinyl)aniline1220021-52-297 % similar 4-(Ethylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1219957-21-782 % similar 2-(Ethylsulfonyl)-5-(4-morpholinyl)benzenamine1220034-99-078 % similar N1,N1-Diethyl-4-(ethylsulfonyl)-1,3-benzenediamine1220028-93-277 % similar 2-{4-[3-Amino-4-(ethylsulfonyl)phenyl]-1-piperazinyl}-1-ethanol1220039-23-571 % similar 4-(Ethylsulfonyl)-N1,N1-dimethyl-1,3-benzenediamine1220028-78-370 % similar 5-(4-Benzyl-1-piperazinyl)-2-(ethylsulfonyl)-phenylamine1219957-19-368 % similar N1-Butyl-4-(ethylsulfonyl)-N1-methyl-1,3-benzenediamine1219957-17-167 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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